Structure of PDB 6q8x Chain D Binding Site BS04

Receptor Information
>6q8x Chain D (length=756) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVRVKVNDRIVEVPPGTSVMDAVFHAGYDVPLFCSEKHLSPIGACRMCLV
RIGLPIQWQPKLAASCVTAVADGMVVDTLSDVVREAQAGMVEFTLLNHPL
DCPTCDKGGACELQDRTVEYGLYEKYPLELPVYTRFEFTRRHVDKHHPLS
PFVILDRERCIHCKRCVRYFEEVPGDEVLDFIERGVHTFIGTMDFGLPSG
FSGNITDICPVGALLDLTARFRARNWEMEETPTTCALCPVGCGITADTRS
GELLRIRAREVPEVNEIWICDAGRFGHEWADQNRLKTPLVRKEGRLVEAT
WEEAFLALKEGLKEARGEEVGLYLAHDATLEEGLLASELAKALKTPHLDF
QGRTAAPASLFPPASLEDLLQADFALVLGDPTEEAPILHLRLSEFVRDLK
PPHRYNHGTPFADLQIKERMPRRTDKMALFAPYRAPLMKWAAIHEVHRPG
EEREILLALLGDKEGSEMVAKAKEAWEKAKNPVLILGAGVLQDTVAAERA
RLLAERKGAKVLAMTPAANARGLEAMGVLPGAKGASWDEPGALYAYYGFV
PPEEALKGKRFVVMHLSHLHPLAERYAHVVLPAPTFYEKRGHLVNLEGRV
LPLSPAPIENGEAEGALQVLALLAEALGVRPPFRLHLEAQKALKARKVPE
AMGRLSFRLKELRPKERKGAFYLRPTMWKAHQAVGKAQEAARAELWAHPE
TARAEALPEGAQVAVETPFGRVEARVVHREDVPKGHLYLSALGPAAGLRV
EGRVLV
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6q8x Chain D Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q8x Key role of quinone in the mechanism of respiratory complex I.
Resolution3.508 Å
Binding residue
(original residue number in PDB)		C34 S35 G43 C45 R46 C48 C83
Binding residue
(residue number reindexed from 1)		C34 S35 G43 C45 R46 C48 C66
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A293 A376 A377 A509 P537 A538
Catalytic site (residue number reindexed from 1) A272 A355 A356 A488 P516 A517
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6q8x, PDBe:6q8x, PDBj:6q8x
PDBsum6q8x
PubMed32811817
UniProtQ56223|NQO3_THET8 NADH-quinone oxidoreductase subunit 3 (Gene Name=nqo3)

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